[5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-cyclopropyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-cyclopropyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C21H25N6OS+ MolecularWeight: 409.5278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)N4CC[NH+](CC4)C)C5CC5

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)N4CC[NH+](CC4)C)C5CC5

InChI

InChI=1S/C21H24N6OS/c1-14-12-22-21(24-18(14)17-4-3-11-29-17)27-19(15-5-6-15)16(13-23-27)20(28)26-9-7-25(2)8-10-26/h3-4,11-13,15H,5-10H2,1-2H3/p+1